cis-(1R,3S)-3-[(2,4-dichlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid

C13H14Cl2N2O3 — CID 106324030

IUPACcis-(1R,3S)-3-[(2,4-dichlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESO=C(Nc1ccc(Cl)cc1Cl)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C13H14Cl2N2O3/c14-8-2-4-11(10(15)6-8)17-13(20)16-9-3-1-7(5-9)12(18)19/h2,4,6-7,9H,1,3,5H2,(H,18,19)(H2,16,17,20)/t7-,9+/m1/s1
InChIKeyZTTISDDJYINCFJ-APPZFPTMSA-N
MW317.17 g/mol
LogP3.37
Rot. Bonds3

About cis-(1R,3S)-3-[(2,4-dichlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[(2,4-dichlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 106324030) has the molecular formula C13H14Cl2N2O3 and a molecular weight of 317.17 g/mol. Its IUPAC name is cis-(1R,3S)-3-[(2,4-dichlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[(2,4-dichlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
PubChem CID106324030
Molecular FormulaC13H14Cl2N2O3
Molecular Weight317.17 g/mol
Exact Mass316.04
IUPAC Namecis-(1R,3S)-3-[(2,4-dichlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESO=C(Nc1ccc(Cl)cc1Cl)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C13H14Cl2N2O3/c14-8-2-4-11(10(15)6-8)17-13(20)16-9-3-1-7(5-9)12(18)19/h2,4,6-7,9H,1,3,5H2,(H,18,19)(H2,16,17,20)/t7-,9+/m1/s1
InChIKeyZTTISDDJYINCFJ-APPZFPTMSA-N
XLogP3.37
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.17
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-chloro-4-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 66030426
3-[(2-bromo-4-chlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 81281055
cis-(1R,3S)-3-[(5-chloro-2-fluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106319305
1-(2,4-dichlorophenyl)-3-(4-methylcyclohexyl)urea
CID 51421854
cis-(1R,3S)-3-[(5-chloro-2-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106321337
5-chloro-2-(cyclopropylcarbamoylamino)benzoic acid
CID 61186634
cis-(1R,3S)-3-[(3,5-dichloro-4-fluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106320322
3-[(4-chloro-2-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66031335
cis-(1R,3S)-3-[(3,4-difluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106324149
N-cyclopropyl-N'-(2,4-dichlorophenyl)oxamide
CID 108502911
3-[(2-bromo-4-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 66031810
cis-(1R,3S)-3-[(2,6-dimethyl-3-pyridinyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106319865

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[(2,4-dichlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[(2,4-dichlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid (CID 106324030) is cis-(1R,3S)-3-[(2,4-dichlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[(2,4-dichlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[(2,4-dichlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid is O=C(Nc1ccc(Cl)cc1Cl)N[C@H]1CC[C@@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,3S)-3-[(2,4-dichlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is ZTTISDDJYINCFJ-APPZFPTMSA-N. The full InChI is InChI=1S/C13H14Cl2N2O3/c14-8-2-4-11(10(15)6-8)17-13(20)16-9-3-1-7(5-9)12(18)19/h2,4,6-7,9H,1,3,5H2,(H,18,19)(H2,16,17,20)/t7-,9+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[(2,4-dichlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[(2,4-dichlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 317.17 g/mol, XLogP of 3.37, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[(2,4-dichlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106324030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).